REMARK  Name = BDB062425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.122   0.232   1.409  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.752  -0.981   1.106  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        3.012  -0.987   0.497  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        3.677   0.205   0.173  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        5.006   0.129  -0.479  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1        5.707   1.409  -0.875  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        6.915   1.201  -1.794  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        7.759   0.023  -1.332  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1        6.931  -1.262  -1.317  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        5.565  -1.079  -0.710  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        4.846  -2.341  -0.361  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1        5.330  -3.447  -0.582  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.047   1.414   0.497  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        3.616  -2.214   0.215  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1        3.152  -3.081   0.445  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        1.788   1.427   1.109  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.233   0.248   2.087  0.00  0.00    +0.119 C 
BRANCH  17  21
ATOM     18  N   LIG    1       -4.048   0.365   0.785  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1       -2.897  -0.269   0.105  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -1.640   0.631   0.102  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1       -1.207   1.129   1.427  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -2.375   1.356   2.313  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.703   1.577   1.560  0.00  0.00    +0.123 C 
BRANCH  18  28
ATOM     24  C   LIG    1       -7.991  -1.137  -1.708  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -7.020  -0.248  -1.031  0.00  0.00    +0.036 A 
ATOM     26  N   LIG    1       -5.904  -0.677  -0.345  0.00  0.00    -0.319 N 
ATOM     27  C   LIG    1       -5.558  -2.051  -0.071  0.00  0.00    +0.152 C 
ATOM     28  C   LIG    1       -5.224   0.440   0.100  0.00  0.00    +0.198 A 
ATOM     29  N   LIG    1       -5.903   1.529  -0.184  0.00  0.00    -0.222 NA
ATOM     30  C   LIG    1       -6.995   1.123  -0.900  0.00  0.00    +0.135 A 
ENDBRANCH  18  28
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3